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	hartrees
Energy at 0K	-375.590995
Energy at 298.15K	-375.592848
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3321	3121	8.61
2	A'	1875	1763	62.94
3	A'	1425	1340	136.60
4	A'	1326	1246	162.14
5	A'	1220	1147	108.12
6	A'	960	903	45.00
7	A'	639	600	3.40
8	A'	496	467	1.96
9	A'	224	210	4.07
10	A"	796	748	27.46
11	A"	622	585	0.86
12	A"	322	303	3.72

Atom	x (Å)	y (Å)
C1	0.000	0.434
C2	-0.687	-0.695
F3	1.301	0.519
F4	-0.575	1.609
F5	-0.073	-1.875
H6	-1.763	-0.709

	C1	C2	F3	F4	F5	H6
C1		1.3213	1.3043	1.3083	2.3094	2.1010
C2	1.3213		2.3298	2.3066	1.3299	1.0764
F3	1.3043	2.3298		2.1699	2.7602	3.3016
F4	1.3083	2.3066	2.1699		3.5195	2.6046
F5	2.3094	1.3299	2.7602	3.5195		2.0535
H6	2.1010	1.0764	3.3016	2.6046	2.0535

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	121.172	C1	C2	H6	122.060
C2	C1	F3	125.082	C2	C1	F4	122.607
F3	C1	F4	112.311	F5	C2	H6	116.768

All results from a given calculation for C₂HF₃ (Trifluoroethylene)

using model chemistry: MP2=FULL/6-31G(2df,p)

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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HF vs MP2 Bad vib. Calc. vs exp. 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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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All results from a given calculation for C2HF3 (Trifluoroethylene)

using model chemistry: MP2=FULL/6-31G(2df,p)

States and conformations

All results from a given calculation for C₂HF₃ (Trifluoroethylene)